⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1548017 | 0.83 | — | — | |
| SCHEMBL17220862 | 0.83 | — | — | |
| SCHEMBL7625024 | 0.83 | — | — | |
| SCHEMBL8826992 | 0.81 | — | — | |
| SCHEMBL4835420 | 0.81 | — | — | |
| SCHEMBL5732382 | 0.81 | — | — | |
| SCHEMBL1312848 | 0.81 | — | — | |
| SCHEMBL28128095 | 0.79 | — | — | |
| SCHEMBL28891499 | 0.79 | — | — | |
| SCHEMBL28167857 | 0.77 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106046281-A | FUNCTIONALIZED KETONE-ALDEHYDE CONDENSATION RESINS | 赢创德固赛有限公司 | 2016-10-26 | — | — | CN | disclosed |
| US-6222072-B1 | RACTING IMINE WITH HYDRIDE REAGENT IN PRESENCE OF OPTICALLY ACTIVE METAL COMPOUND, WHEREIN HYDRIDE REAGENT IS A METAL HYDRIDE, REAGENT THAT UNDERGOES METAL EXCHANGE, METAL TRIALKOXY HYDRIDE COMPLEX OR METAL(TRICARBOXYLIC ACID)HYDRIDE | MITSUI CHEMICALS INC. (JP) | 2001-04-24 | — | — | US | disclosed |